1-(5-Bromo-2-hydroxyphenyl)-1,3-butanedione - CAS 207387-68-6
Catalog: |
BB016247 |
Product Name: |
1-(5-Bromo-2-hydroxyphenyl)-1,3-butanedione |
CAS: |
207387-68-6 |
Synonyms: |
1-(5-bromo-2-hydroxyphenyl)butane-1,3-dione |
IUPAC Name: | 1-(5-bromo-2-hydroxyphenyl)butane-1,3-dione |
Description: | 1-(5-Bromo-2-hydroxyphenyl)-1,3-butanedione (CAS# 207387-68-6 ) is a useful research chemical. |
Molecular Weight: | 257.08 |
Molecular Formula: | C10H9BrO3 |
Canonical SMILES: | CC(=O)CC(=O)C1=C(C=CC(=C1)Br)O |
InChI: | InChI=1S/C10H9BrO3/c1-6(12)4-10(14)8-5-7(11)2-3-9(8)13/h2-3,5,13H,4H2,1H3 |
InChI Key: | GCPQDUDCTCGTCZ-UHFFFAOYSA-N |
Boiling Point: | 352 ℃ at 760 mmHg |
Density: | 1.551 g/cm3 |
MDL: | MFCD04039883 |
LogP: | 2.31650 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2721143-A | 3-phenyl pyrazol compounds and preserved composition containing said compounds | 19501118 |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.97351 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.97351 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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